3-[[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[6-methyl-2-(p-tolyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[6-methyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[6-methyl-2-(p-tolyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Formula: C20H15N4O3- MolecularWeight: 359.3581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC3=NNC(=N3)C(=O)[O-])C4=C(O2)C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC3=NNC(=N3)C(=O)[O-])C4=C(O2)C=CC(=C4)C

InChI

InChI=1S/C20H16N4O3/c1-11-3-6-13(7-4-11)17-10-15(14-9-12(2)5-8-16(14)27-17)21-20-22-18(19(25)26)23-24-20/h3-10H,1-2H3,(H,25,26)(H,22,23,24)/p-1